(2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide

C20H24N2O4 — CID 5494860

IUPAC(2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide
SMILESC[C@H](NC(=O)[C@@H](O)[C@H](O)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O4/c1-13(15-9-5-3-6-10-15)21-19(25)17(23)18(24)20(26)22-14(2)16-11-7-4-8-12-16/h3-14,17-18,23-24H,1-2H3,(H,21,25)(H,22,26)/t13-,14-,17-,18-/m0/s1
InChIKeyVZSJUBSKKNIJEU-USJZOSNVSA-N
MW356.42 g/mol
LogP1.46
Rot. Bonds7

About (2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide

(2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide (PubChem CID 5494860) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide.

Molecular Properties

Compound Name(2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide
PubChem CID5494860
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide
SMILESC[C@H](NC(=O)[C@@H](O)[C@H](O)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O4/c1-13(15-9-5-3-6-10-15)21-19(25)17(23)18(24)20(26)22-14(2)16-11-7-4-8-12-16/h3-14,17-18,23-24H,1-2H3,(H,21,25)(H,22,26)/t13-,14-,17-,18-/m0/s1
InChIKeyVZSJUBSKKNIJEU-USJZOSNVSA-N
XLogP1.46
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-N-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
CID 54584508
(2R,3R)-N-(biphenyl-4-ylmethyl)-2,3-dihydroxy-4-oxo-4-((R)-2-phenylpyrrolidin-1-yl)butanamide
CID 54586421
(2R,3R)-N-benzyl-4-(2-(3-chlorophenyl)pyrrolidin-1-yl)-2,3-dihydroxy-4-oxobutanamide
CID 11668526
(2S)-2-(benzylamino)-3-hydroxy-N-tetradecylpropanamide
CID 44253977
(-)-N,N'-Dibenzyl-D-tartaric diamide
CID 501436
(2S,4R)-1-(2,3-dihydroxypropanoyl)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 167188758
(2R)-N-[4-(benzylamino)-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 25169938
(2R)-N-benzyl-2-hydroxybutanamide
CID 54757479
2-Pyrrolidinone, 1-(3-((diphenylmethyl)amino)-2-hydroxypropyl)-, monohydrochloride
CID 3075720
[(1S,2S)-2-acetoxy-3-(benzylamino)-1-(benzylcarbamoyl)-3-oxo-propyl] acetate
CID 501444
(2R,3R)-1,4-bis[[(1R)-1-phenylethyl]amino]butane-2,3-diol
CID 5494858
(2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol
CID 5494859

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide?
The IUPAC name of (2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide (CID 5494860) is (2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide.
What is the SMILES notation for (2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide?
The canonical SMILES for (2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide is C[C@H](NC(=O)[C@@H](O)[C@H](O)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide?
The InChIKey is VZSJUBSKKNIJEU-USJZOSNVSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13(15-9-5-3-6-10-15)21-19(25)17(23)18(24)20(26)22-14(2)16-11-7-4-8-12-16/h3-14,17-18,23-24H,1-2H3,(H,21,25)(H,22,26)/t13-,14-,17-,18-/m0/s1.
What are the key properties of (2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide?
(2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide has a molecular weight of 356.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide is sourced from PubChem (CID 5494860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).